[gmx-users] Re: trjconv centre protein
Crystal clear! Thank you Justin! :) Take care. Regards. -- View this message in context: http://gromacs.5086.n6.nabble.com/trjconv-centre-protein-tp5006454p5006459.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
Re: [gmx-users] Re: trjconv centre protein
On 3/19/13 8:00 AM, Ewaru wrote: HI Justin, Thanks for the prompt reply! :) Correct me if I'm wrong, but I thought the protein has to be in the center (inside the box) before the simulation, is it? Absolutely not. In a periodic system, there is no such thing as a center. Centering within the central unit cell is merely a visualization convenience. The MD algorithm could care less. -Justin -- Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
[gmx-users] Re: trjconv centre protein
HI Justin, Thanks for the prompt reply! :) Correct me if I'm wrong, but I thought the protein has to be in the center (inside the box) before the simulation, is it? Thank you. Best regards. -- View this message in context: http://gromacs.5086.n6.nabble.com/trjconv-centre-protein-tp5006454p5006456.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
